ethyl 3-methyl-5-[2-(2-methylphenyl)pyrrolidin-1-yl]sulfonyl-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-[2-(2-methylphenyl)pyrrolidin-1-yl]sulfonyl-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-methyl-5-[2-(o-tolyl)pyrrolidin-1-yl]sulfonyl-benzofuran-2-carboxylate CAS Name: 3-methyl-5-[[2-(2-methylphenyl)-1-pyrrolidinyl]sulfonyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-[2-(2-methylphenyl)pyrrolidin-1-yl]sulfonyl-1-benzofuran-2-carboxylate Traditional Name: 3-methyl-5-[2-(o-tolyl)pyrrolidino]sulfonyl-coumarilic acid ethyl ester Formula: C23H25NO5S MolecularWeight: 427.5133

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCCC3C4=CC=CC=C4C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC(=C2)S(=O)(=O)N3CCCC3C4=CC=CC=C4C)C

InChI

InChI=1S/C23H25NO5S/c1-4-28-23(25)22-16(3)19-14-17(11-12-21(19)29-22)30(26,27)24-13-7-10-20(24)18-9-6-5-8-15(18)2/h5-6,8-9,11-12,14,20H,4,7,10,13H2,1-3H3